Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | REN | P00797 | 2/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12631699 | 1.00 | SHBG (0.41) | SHBGCYP1A2DPP4METAP2NOS1 | |
| SCHEMBL12262014 | 1.00 | SHBG (0.41) | SHBGCYP1A2DPP4METAP2NOS1 | |
| SCHEMBL12262020 | 0.98 | DPP4 (0.38) | SHBGCYP1A2DPP4METAP2NOS1 | |
| SCHEMBL15251640 | 0.98 | DPP4 (0.38) | SHBGCYP1A2DPP4METAP2NOS1 | |
| SCHEMBL12262019 | 0.98 | DPP4 (0.38) | SHBGCYP1A2DPP4METAP2NOS1 | |
| SCHEMBL15604728 | 0.93 | — | — | |
| SCHEMBL21468140 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL25326393 | 0.91 | ANPEP (0.37) | SHBGCYP1A2DPP4METAP2NOS1 | |
| SCHEMBL10271723 | 0.87 | — | — | |
| SCHEMBL1179219 | 0.87 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697354-B1 | ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS | MERCK SHARP & DOHME (US) | 2013-08-07 | — | — | EP | disclosed |
| US-8487108-B2 | Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-8455521-B2 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20110213029-A1 | 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands | SCHERING CORPORATION (US) | 2011-09-01 | — | — | US | disclosed |
| US-20110213029-A1 | 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands | SCHERING CORPORATION (US) | 2011-09-01 | — | — | US | disclosed |
| US-7964646-B2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2011-06-21 | — | — | US | disclosed |
| US-7964646-B2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2011-06-21 | — | — | US | disclosed |
| US-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | VITAE PHARMACEUTICALS, INC. | 2011-05-05 | — | — | US | disclosed |
| US-7786149-B2 | Thiadiazoles as CXC- and CC- chemokine receptor ligands | SCHERING CORP. (US) | 2010-08-31 | — | — | US | disclosed |
| US-7786149-B2 | Thiadiazoles as CXC- and CC- chemokine receptor ligands | SCHERING CORP. (US) | 2010-08-31 | — | — | US | disclosed |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | VITAE PHARMACEUTICAL, INC (US) | 2009-01-15 | — | — | US | disclosed |
| US-20080090823-A1 | THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. | 2008-04-17 | — | — | US | disclosed |
| US-20080090823-A1 | THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS | MERCK SHARP & DOHME CORP. | 2008-04-17 | — | — | US | disclosed |
| US-7338968-B2 | Thiadiazoles AS CXC- and CC- chemokine receptor ligands | SCHERING CORPORATION (US) | 2008-03-04 | — | — | US | disclosed |
| US-20070264230-A1 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION | 2007-11-15 | — | — | US | disclosed |
| US-20070264230-A1 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION | 2007-11-15 | — | — | US | disclosed |
| EP-1818325-A2 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2007-08-15 | — | — | EP | disclosed |
| EP-1381590-B1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORP (US) | 2007-06-20 | — | — | EP | disclosed |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION AND PHARMACOPEIA, INC. | 2007-01-25 | — | — | US | disclosed |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORPORATION AND PHARMACOPEIA, INC. | 2007-01-25 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080090823-A1 | THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS | CCR2, ACKR3, CX3CR1 | SHBG 3094/4885CYP1A2 1553/4885DPP4 3180/4885 |
| US-20110213029-A1 | 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands | CCR1, ACKR3, CXCR1 | SHBG 1104/4885CYP1A2 2247/4885DPP4 2687/4885 |
| US-20110105506-A1 | Diaminoalkane aspartic protease inhibitors | DNPEP, PEPD, ACE | SHBG 1467/4885CYP1A2 2137/4885DPP4 14/4885 |
| US-20070021494-A1 | 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | CCR1, ACKR3, CXCR1 | SHBG 1104/4885CYP1A2 2247/4885DPP4 2687/4885 |
| US-20070264230-A1 | Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands | CXCR1, CCR2, CX3CR1 | SHBG 2658/4885CYP1A2 1056/4885DPP4 2617/4885 |
| US-20090018103-A1 | Diaminoalkane Aspartic Protease Inhibitors | DNPEP, PEPD, ACE | SHBG 1467/4885CYP1A2 2137/4885DPP4 14/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.